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{
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{
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"structure_string": "Na4 Sr2 P4 H32 S12 O16\n1.0\n-7.475368 -4.722486 0.000000\n7.475368 -4.722486 0.000000\n1.384902 4.722486 13.107028\nNa Sr P H S O\n4 2 4 32 12 16\ndirect\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.437839 0.187839 0.250000 Na\n0.562161 0.812161 0.750000 Na\n0.999056 0.749056 0.250000 Sr\n0.000944 0.250944 0.750000 Sr\n0.602379 0.961259 0.042951 P\n0.418308 0.559428 0.457049 P\n0.397621 0.038741 0.957049 P\n0.581692 0.440572 0.542951 P\n0.610977 0.690217 0.195061 H\n0.995156 0.415916 0.304939 H\n0.389023 0.309783 0.804939 H\n0.004844 0.584084 0.695061 H\n0.643388 0.642093 0.298621 H\n0.843472 0.344767 0.201379 H\n0.356612 0.357907 0.701379 H\n0.156528 0.655233 0.798621 H\n0.033535 0.036135 0.124257 H\n0.411877 0.909278 0.375743 H\n0.966465 0.963865 0.875743 H\n0.588123 0.090722 0.624257 H\n0.124139 0.940400 0.080301 H\n0.360099 0.043838 0.419699 H\n0.875861 0.059600 0.919699 H\n0.639901 0.956162 0.580301 H\n0.701390 0.471538 0.049284 H\n0.922254 0.652105 0.450716 H\n0.298610 0.528462 0.950716 H\n0.077746 0.347895 0.549284 H\n0.754569 0.648715 0.021144 H\n0.127570 0.733425 0.478856 H\n0.245431 0.351285 0.978856 H\n0.872430 0.266575 0.521144 H\n0.223274 0.567774 0.217040 H\n0.850735 0.006235 0.282960 H\n0.776726 0.432226 0.782960 H\n0.149265 0.993765 0.717040 H\n0.306763 0.729692 0.171808 H\n0.057884 0.134955 0.328192 H\n0.693237 0.270308 0.828192 H\n0.942116 0.865045 0.671808 H\n0.549222 0.738376 0.952939 S\n0.285437 0.596282 0.547061 S\n0.450778 0.261624 0.047061 S\n0.714563 0.403718 0.452939 S\n0.849234 0.157185 0.062780 S\n0.594405 0.786454 0.437220 S\n0.150766 0.842815 0.937220 S\n0.405595 0.213546 0.562780 S\n0.569435 0.940545 0.181184 S\n0.259361 0.388251 0.318816 S\n0.430565 0.059455 0.818816 S\n0.740639 0.611749 0.681184 S\n0.667232 0.629854 0.234271 O\n0.895583 0.432961 0.265729 O\n0.332768 0.370146 0.765729 O\n0.104417 0.567039 0.734271 O\n0.109146 0.980172 0.144620 O\n0.335553 0.964526 0.355380 O\n0.890854 0.019828 0.855380 O\n0.664447 0.035474 0.644620 O\n0.808238 0.581113 0.054623 O\n0.026490 0.753615 0.445377 O\n0.191762 0.418887 0.945377 O\n0.973510 0.246385 0.554623 O\n0.192038 0.641289 0.174875 O\n0.966415 0.017163 0.325125 O\n0.807962 0.358711 0.825125 O\n0.033585 0.982837 0.674875 O\n",
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{
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"structure_string": "Ba16 Ir12 N28\n1.0\n15.646651 0.000000 0.670944\n0.000000 6.431968 0.000000\n-1.206728 0.000000 10.726344\nBa Ir N\n16 12 28\ndirect\n0.423913 0.235867 0.557024 Ba\n0.576087 0.764133 0.442976 Ba\n0.076087 0.235867 0.942976 Ba\n0.923913 0.764133 0.057024 Ba\n0.474075 0.722323 0.759498 Ba\n0.525925 0.277677 0.240502 Ba\n0.025925 0.722323 0.740502 Ba\n0.974075 0.277677 0.259498 Ba\n0.620796 0.170535 0.904303 Ba\n0.379204 0.829465 0.095697 Ba\n0.879204 0.170535 0.595697 Ba\n0.120796 0.829465 0.404303 Ba\n0.250000 0.329185 0.250000 Ba\n0.750000 0.670815 0.750000 Ba\n0.250000 0.092281 0.750000 Ba\n0.750000 0.907719 0.250000 Ba\n0.259153 0.589648 0.609993 Ir\n0.740847 0.410352 0.390007 Ir\n0.240847 0.589648 0.890007 Ir\n0.759153 0.410352 0.109993 Ir\n0.413591 0.307800 0.961771 Ir\n0.586409 0.692200 0.038229 Ir\n0.086409 0.307800 0.538229 Ir\n0.913591 0.692200 0.461771 Ir\n0.648864 0.229096 0.603642 Ir\n0.351136 0.770904 0.396358 Ir\n0.851136 0.229096 0.896358 Ir\n0.148864 0.770904 0.103642 Ir\n0.590739 0.987246 0.659483 N\n0.409261 0.012754 0.340517 N\n0.909261 0.987246 0.840517 N\n0.090739 0.012754 0.159483 N\n0.082793 0.071436 0.631053 N\n0.917207 0.928564 0.368947 N\n0.417207 0.071436 0.868947 N\n0.582793 0.928564 0.131053 N\n0.750000 0.245344 0.750000 N\n0.250000 0.754656 0.250000 N\n0.083206 0.537090 0.129261 N\n0.916794 0.462910 0.870739 N\n0.416794 0.537090 0.370739 N\n0.583206 0.462910 0.629261 N\n0.326828 0.499408 0.754925 N\n0.673172 0.500592 0.245075 N\n0.173172 0.499408 0.745075 N\n0.826828 0.500592 0.254925 N\n0.202244 0.853861 0.954025 N\n0.797756 0.146139 0.045975 N\n0.297756 0.853861 0.545975 N\n0.702244 0.146139 0.454025 N\n0.000000 0.500000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.197507 0.393374 0.496798 N\n0.802493 0.606626 0.503202 N\n0.302493 0.393374 0.003202 N\n0.697507 0.606626 0.996798 N\n",
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{
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{
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"structure_string": "Tl7 Ag36 Te22\n1.0\n0.000000 9.464451 9.464451\n9.464451 0.000000 9.464451\n9.464451 9.464451 0.000000\nTl Ag Te\n7 36 22\ndirect\n0.233819 0.766181 0.766181 Tl\n0.766181 0.766181 0.233819 Tl\n0.766181 0.233819 0.766181 Tl\n0.233819 0.766181 0.233819 Tl\n0.000000 0.000000 0.000000 Tl\n0.233819 0.233819 0.766181 Tl\n0.766181 0.233819 0.233819 Tl\n0.257911 0.005488 0.257911 Ag\n0.478690 0.257911 0.257911 Ag\n0.005488 0.257911 0.478690 Ag\n0.386648 0.000000 0.000000 Ag\n0.994512 0.521310 0.742089 Ag\n0.005488 0.478690 0.257911 Ag\n0.000000 0.386648 0.613352 Ag\n0.000000 0.613352 0.386648 Ag\n0.521310 0.994512 0.742089 Ag\n0.478690 0.005488 0.257911 Ag\n0.742089 0.521310 0.742089 Ag\n0.478690 0.257911 0.005488 Ag\n0.742089 0.521310 0.994512 Ag\n0.005488 0.257911 0.257911 Ag\n0.257911 0.478690 0.005488 Ag\n0.742089 0.742089 0.521310 Ag\n0.521310 0.742089 0.742089 Ag\n0.386648 0.613352 0.000000 Ag\n0.742089 0.994512 0.742089 Ag\n0.000000 0.386648 0.000000 Ag\n0.257911 0.005488 0.478690 Ag\n0.521310 0.742089 0.994512 Ag\n0.257911 0.257911 0.005488 Ag\n0.613352 0.386648 0.000000 Ag\n0.742089 0.742089 0.994512 Ag\n0.257911 0.257911 0.478690 Ag\n0.000000 0.000000 0.386648 Ag\n0.000000 0.613352 0.000000 Ag\n0.994512 0.742089 0.742089 Ag\n0.257911 0.478690 0.257911 Ag\n0.613352 0.000000 0.386648 Ag\n0.742089 0.994512 0.521310 Ag\n0.000000 0.000000 0.613352 Ag\n0.994512 0.742089 0.521310 Ag\n0.386648 0.000000 0.613352 Ag\n0.613352 0.000000 0.000000 Ag\n0.327741 0.890753 0.890753 Te\n0.109247 0.109247 0.109247 Te\n0.185016 0.814984 0.500000 Te\n0.185016 0.500000 0.500000 Te\n0.500000 0.185016 0.500000 Te\n0.814984 0.500000 0.500000 Te\n0.185016 0.500000 0.814984 Te\n0.500000 0.814984 0.185016 Te\n0.500000 0.500000 0.185016 Te\n0.500000 0.185016 0.814984 Te\n0.109247 0.109247 0.672259 Te\n0.672259 0.109247 0.109247 Te\n0.890753 0.327741 0.890753 Te\n0.109247 0.672259 0.109247 Te\n0.814984 0.185016 0.500000 Te\n0.890753 0.890753 0.327741 Te\n0.814984 0.500000 0.185016 Te\n0.750000 0.750000 0.750000 Te\n0.500000 0.814984 0.500000 Te\n0.500000 0.500000 0.814984 Te\n0.890753 0.890753 0.890753 Te\n0.250000 0.250000 0.250000 Te\n",
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{
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{
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}